6-(3-methylbut-2-enyl)-7H-purin-2-amine

C10H13N5 — CID 67252826

IUPAC6-(3-methylbut-2-enyl)-7H-purin-2-amine
SMILESCC(C)=CCc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H13N5/c1-6(2)3-4-7-8-9(13-5-12-8)15-10(11)14-7/h3,5H,4H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyJVOKEITZPQXDHG-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.44
Rot. Bonds2

About 6-(3-methylbut-2-enyl)-7H-purin-2-amine

6-(3-methylbut-2-enyl)-7H-purin-2-amine (PubChem CID 67252826) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 6-(3-methylbut-2-enyl)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(3-methylbut-2-enyl)-7H-purin-2-amine
PubChem CID67252826
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name6-(3-methylbut-2-enyl)-7H-purin-2-amine
SMILESCC(C)=CCc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H13N5/c1-6(2)3-4-7-8-9(13-5-12-8)15-10(11)14-7/h3,5H,4H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyJVOKEITZPQXDHG-UHFFFAOYSA-N
XLogP1.44
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-amino-7H-purin-6-yl)methanol
CID 11593490
6-[[tert-butyl(methyl)amino]methyl]-7H-purin-2-amine
CID 118699160
6-(pyrrolidin-1-ylmethyl)-7H-purin-2-amine;hydrochloride
CID 173115368
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
CID 3336308
6-(ethylideneamino)-7H-purin-2-amine
CID 174743190
azane;6-benzyl-7H-purin-2-amine;nitric acid
CID 174901949
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
3-(3-methylbut-2-enyl)-7H-purin-3-ium-6-amine chloride
CID 135502812
6-(2,2-difluoroethoxy)-7H-purin-2-amine
CID 114787974
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
6-(1-amino-2-methylpropyl)-7H-purin-2-amine
CID 174749198

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbut-2-enyl)-7H-purin-2-amine?
The IUPAC name of 6-(3-methylbut-2-enyl)-7H-purin-2-amine (CID 67252826) is 6-(3-methylbut-2-enyl)-7H-purin-2-amine.
What is the SMILES notation for 6-(3-methylbut-2-enyl)-7H-purin-2-amine?
The canonical SMILES for 6-(3-methylbut-2-enyl)-7H-purin-2-amine is CC(C)=CCc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-(3-methylbut-2-enyl)-7H-purin-2-amine?
The InChIKey is JVOKEITZPQXDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-6(2)3-4-7-8-9(13-5-12-8)15-10(11)14-7/h3,5H,4H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 6-(3-methylbut-2-enyl)-7H-purin-2-amine?
6-(3-methylbut-2-enyl)-7H-purin-2-amine has a molecular weight of 203.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbut-2-enyl)-7H-purin-2-amine is sourced from PubChem (CID 67252826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).